Geometry & MOs

Info

ID:	89620
PubChem CID:	49963130
Reduced:	NOH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	223.099714
ΔH_f, kcal/mol:	25.94
Dipole, Da:	3.05
IP(EA), eV:	-9.44(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[hydroxy-(3-methylphenyl)methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C2=CC=C(C=C2)C#N)O

DOS

IR

Vibrations